3-(2H-1,3-benzodioxol-5-yl)-N-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxo-1-phenylethyl}prop-2-enamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-N-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxo-1-phenylethyl}prop-2-enamide
3-(2H-1,3-benzodioxol-5-yl)-N-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxo-1-phenylethyl}prop-2-enamide
Compound characteristics
| Compound ID: | C094-0226 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxo-1-phenylethyl}prop-2-enamide |
| Molecular Weight: | 444.44 |
| Molecular Formula: | C25 H20 N2 O6 |
| Smiles: | C1Oc2ccc(\C=C/C(NC(C(Nc3ccc4c(c3)OCO4)=O)c3ccccc3)=O)cc2O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.089 |
| logD: | 4.0889 |
| logSw: | -4.3934 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.113 |
| InChI Key: | USPHTITUESVSAY-XMMPIXPASA-N |